(3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine

C13H20N2O3S2 — CID 164630336

IUPAC(3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine
SMILESCS(=O)(=O)Cc1nc(CN2CCOC[C@H]2C2CC2)cs1
InChIInChI=1S/C13H20N2O3S2/c1-20(16,17)9-13-14-11(8-19-13)6-15-4-5-18-7-12(15)10-2-3-10/h8,10,12H,2-7,9H2,1H3/t12-/m0/s1
InChIKeyGKYYBIQMIULZJR-LBPRGKRZSA-N
MW316.45 g/mol
LogP1.30
Rot. Bonds5

About (3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine

(3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine (PubChem CID 164630336) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine
PubChem CID164630336
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name(3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine
SMILESCS(=O)(=O)Cc1nc(CN2CCOC[C@H]2C2CC2)cs1
InChIInChI=1S/C13H20N2O3S2/c1-20(16,17)9-13-14-11(8-19-13)6-15-4-5-18-7-12(15)10-2-3-10/h8,10,12H,2-7,9H2,1H3/t12-/m0/s1
InChIKeyGKYYBIQMIULZJR-LBPRGKRZSA-N
XLogP1.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086508
(3S)-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 96053157
N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)methanesulfonamide
CID 97574872
2-Methyl-4-[[4-(oxolan-3-ylmethylsulfonyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 53595949
1-Methylsulfonyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97491917
4-Ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine
CID 131638855
4-[[2-(Methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 166921161
3-Methyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine
CID 47027588
3-Methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086659
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 62462361
(3S)-3-ethyl-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]morpholine
CID 70748797
4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxathiazinane 3,3-dioxide
CID 70749411

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine?
The IUPAC name of (3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine (CID 164630336) is (3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine.
What is the SMILES notation for (3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine?
The canonical SMILES for (3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine is CS(=O)(=O)Cc1nc(CN2CCOC[C@H]2C2CC2)cs1.
What is the InChIKey of (3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine?
The InChIKey is GKYYBIQMIULZJR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-20(16,17)9-13-14-11(8-19-13)6-15-4-5-18-7-12(15)10-2-3-10/h8,10,12H,2-7,9H2,1H3/t12-/m0/s1.
What are the key properties of (3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine?
(3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine has a molecular weight of 316.45 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine is sourced from PubChem (CID 164630336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).